tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[4-(4-bromophenyl)phenyl]sulfonylamino]-3-methyl-butyric acid tert-butyl ester Formula: C21H26BrNO4S MolecularWeight: 468.40444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OC(C)(C)C)NS(=O)(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)Br

InChI

InChI=1S/C21H26BrNO4S/c1-14(2)19(20(24)27-21(3,4)5)23-28(25,26)18-12-8-16(9-13-18)15-6-10-17(22)11-7-15/h6-14,19,23H,1-5H3/t19-/m0/s1